azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine

C77H178FN19O4 — CID 158604053

IUPACazetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CNC1.C1COCCN1.CC(C)N1CCNCC1.CC1(F)CCNC1.CC1CCNC1.CC1CCNC1.CC1CNCC(C)O1.CCCNCCC.CCNCC.CN1CCCNCC1.CN1CCNCC1.CNC.COC1CCNCC1.COC1CNC1
InChIInChI=1S/C7H16N2.C6H14N2.2C6H13NO.C6H15N.C5H10FN.C5H12N2.3C5H11N.2C4H9NO.C4H9N.C4H11N.C3H7N.C2H7N/c1-7(2)9-5-3-8-4-6-9;1-8-5-2-3-7-4-6-8;1-5-3-7-4-6(2)8-5;1-8-6-2-4-7-5-3-6;1-3-5-7-6-4-2;1-5(6)2-3-7-4-5;1-7-4-2-6-3-5-7;2*1-5-2-3-6-4-5;1-2-4-6-5-3-1;1-6-4-2-5-3-4;1-3-6-4-2-5-1;1-2-4-5-3-1;1-3-5-4-2;1-2-4-3-1;1-3-2/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3;5-7H,3-4H2,1-2H3;6-7H,2-5H2,1H3;7H,3-6H2,1-2H3;7H,2-4H2,1H3;6H,2-5H2,1H3;2*5-6H,2-4H2,1H3;6H,1-5H2;4-5H,2-3H2,1H3;5H,1-4H2;5H,1-4H2;5H,3-4H2,1-2H3;4H,1-3H2;3H,1-2H3
InChIKeyHVZMZBHLOFGMMB-UHFFFAOYSA-N
MW1453.40 g/mol
LogP4.61
Rot. Bonds9

About azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine

azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine (PubChem CID 158604053) has the molecular formula C77H178FN19O4 and a molecular weight of 1453.40 g/mol. Its IUPAC name is azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine.

Molecular Properties

Compound Nameazetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine
PubChem CID158604053
Molecular FormulaC77H178FN19O4
Molecular Weight1453.40 g/mol
Exact Mass1452.43
IUPAC Nameazetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CNC1.C1COCCN1.CC(C)N1CCNCC1.CC1(F)CCNC1.CC1CCNC1.CC1CCNC1.CC1CNCC(C)O1.CCCNCCC.CCNCC.CN1CCCNCC1.CN1CCNCC1.CNC.COC1CCNCC1.COC1CNC1
InChIInChI=1S/C7H16N2.C6H14N2.2C6H13NO.C6H15N.C5H10FN.C5H12N2.3C5H11N.2C4H9NO.C4H9N.C4H11N.C3H7N.C2H7N/c1-7(2)9-5-3-8-4-6-9;1-8-5-2-3-7-4-6-8;1-5-3-7-4-6(2)8-5;1-8-6-2-4-7-5-3-6;1-3-5-7-6-4-2;1-5(6)2-3-7-4-5;1-7-4-2-6-3-5-7;2*1-5-2-3-6-4-5;1-2-4-6-5-3-1;1-6-4-2-5-3-4;1-3-6-4-2-5-1;1-2-4-5-3-1;1-3-5-4-2;1-2-4-3-1;1-3-2/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3;5-7H,3-4H2,1-2H3;6-7H,2-5H2,1H3;7H,3-6H2,1-2H3;7H,2-4H2,1H3;6H,2-5H2,1H3;2*5-6H,2-4H2,1H3;6H,1-5H2;4-5H,2-3H2,1H3;5H,1-4H2;5H,1-4H2;5H,3-4H2,1-2H3;4H,1-3H2;3H,1-2H3
InChIKeyHVZMZBHLOFGMMB-UHFFFAOYSA-N
XLogP4.61
TPSA239.12 Ų
H-Bond Donors16
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.40
LogP ≤ 54.61
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine?
The IUPAC name of azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine (CID 158604053) is azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine.
What is the SMILES notation for azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine?
The canonical SMILES for azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine is C1CCNC1.C1CCNCC1.C1CNC1.C1COCCN1.CC(C)N1CCNCC1.CC1(F)CCNC1.CC1CCNC1.CC1CCNC1.CC1CNCC(C)O1.CCCNCCC.CCNCC.CN1CCCNCC1.CN1CCNCC1.CNC.COC1CCNCC1.COC1CNC1.
What is the InChIKey of azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine?
The InChIKey is HVZMZBHLOFGMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C6H14N2.2C6H13NO.C6H15N.C5H10FN.C5H12N2.3C5H11N.2C4H9NO.C4H9N.C4H11N.C3H7N.C2H7N/c1-7(2)9-5-3-8-4-6-9;1-8-5-2-3-7-4-6-8;1-5-3-7-4-6(2)8-5;1-8-6-2-4-7-5-3-6;1-3-5-7-6-4-2;1-5(6)2-3-7-4-5;1-7-4-2-6-3-5-7;2*1-5-2-3-6-4-5;1-2-4-6-5-3-1;1-6-4-2-5-3-4;1-3-6-4-2-5-1;1-2-4-5-3-1;1-3-5-4-2;1-2-4-3-1;1-3-2/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3;5-7H,3-4H2,1-2H3;6-7H,2-5H2,1H3;7H,3-6H2,1-2H3;7H,2-4H2,1H3;6H,2-5H2,1H3;2*5-6H,2-4H2,1H3;6H,1-5H2;4-5H,2-3H2,1H3;5H,1-4H2;5H,1-4H2;5H,3-4H2,1-2H3;4H,1-3H2;3H,1-2H3.
What are the key properties of azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine?
azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine has a molecular weight of 1453.40 g/mol, XLogP of 4.61, 9 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;2,6-dimethylmorpholine;N-ethylethanamine;3-fluoro-3-methylpyrrolidine;3-methoxyazetidine;4-methoxypiperidine;1-methyl-1,4-diazepane;N-methylmethanamine;1-methylpiperazine;bis(3-methylpyrrolidine);morpholine;piperidine;1-propan-2-ylpiperazine;N-propylpropan-1-amine;pyrrolidine is sourced from PubChem (CID 158604053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).